SCHEMBL21887745

SCHEMBL21887745

CC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc([S+](C)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.47
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
CNR2 P34972 2/20 0.32
NMT1 P30419 7/20 0.32
SLC5A1 P13866 1/20 0.31
CNR1 P21554 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21887706 0.84 NR1H2 (0.61) NR1H2SLC16A3SLC16A1CNR2NMT1
SCHEMBL16553781 0.80 NR1H2 (0.74) NR1H2SLC16A3SLC16A1
SCHEMBL16553610 0.77 NR1H2 (0.42) NR1H2SLC16A3SLC16A1
SCHEMBL21887746 0.76 NR1H2 (0.45) NR1H2SLC16A3SLC16A1TRPV1
SCHEMBL21887703 0.73 NR1H2 (0.40) NR1H2
SCHEMBL17970771 0.73 NR1H2 (0.60) NR1H2SLC16A3SLC16A1
SCHEMBL21887865 0.72 NR1H2 (0.47) NR1H2NMT1
SCHEMBL16553689 0.72 NR1H2 (0.66) NR1H2
SCHEMBL21887748 0.71 NR1H2 (0.42) NR1H2
SCHEMBL5014672 0.71 SYK (0.39) CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626712-A2 LIVER X RECEPTOR (LXR) MODULATORS Ellora Therapeutics, Inc. (US) 2020-03-25 EP disclosed